1,3-Butanedione, 1-(2,4,6-trimethylphenyl)-


Chemical Name: 1,3-Butanedione, 1-(2,4,6-trimethylphenyl)-
CAS Number: 6450-57-3
Product Number: AG003CUV(AGN-PC-0JQJ3N)
Synonyms:
MDL No:
Molecular Formula: C13H16O2
Molecular Weight: 204.2649

Identification/Properties


Properties
BP:
319.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
204.269g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
204.115g/mol
Monoisotopic Mass:
204.115g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback